N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide

C21H22N2O2S — CID 25239419

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide
SMILESCCOc1ccc2nc(NC(=O)C3(c4ccccc4)CCCC3)sc2c1
InChIInChI=1S/C21H22N2O2S/c1-2-25-16-10-11-17-18(14-16)26-20(22-17)23-19(24)21(12-6-7-13-21)15-8-4-3-5-9-15/h3-5,8-11,14H,2,6-7,12-13H2,1H3,(H,22,23,24)
InChIKeyCFLXBRFZMTVJDX-UHFFFAOYSA-N
MW366.49 g/mol
LogP5.15
Rot. Bonds5

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide (PubChem CID 25239419) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide
PubChem CID25239419
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide
SMILESCCOc1ccc2nc(NC(=O)C3(c4ccccc4)CCCC3)sc2c1
InChIInChI=1S/C21H22N2O2S/c1-2-25-16-10-11-17-18(14-16)26-20(22-17)23-19(24)21(12-6-7-13-21)15-8-4-3-5-9-15/h3-5,8-11,14H,2,6-7,12-13H2,1H3,(H,22,23,24)
InChIKeyCFLXBRFZMTVJDX-UHFFFAOYSA-N
XLogP5.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.49
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 2528625
N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 32618876
1-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 60581755
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 3266949
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943598
2,2-dichloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methylcyclopropane-1-carboxamide
CID 46665582
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
(3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 7926146
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
6-ethoxy-N-(1-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79518738
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 60852509

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide (CID 25239419) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide is CCOc1ccc2nc(NC(=O)C3(c4ccccc4)CCCC3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide?
The InChIKey is CFLXBRFZMTVJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-2-25-16-10-11-17-18(14-16)26-20(22-17)23-19(24)21(12-6-7-13-21)15-8-4-3-5-9-15/h3-5,8-11,14H,2,6-7,12-13H2,1H3,(H,22,23,24).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 25239419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).